4-(4-fluorophenyl)-7-[(3-methylsulfinylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

C23H22FN3O2S — CID 154985629

IUPAC4-(4-fluorophenyl)-7-[(3-methylsulfinylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCS(=O)c1cccc(CN2CCc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3C2)c1
InChIInChI=1S/C23H22FN3O2S/c1-30(29)18-4-2-3-15(11-18)13-27-10-9-19-20(16-5-7-17(24)8-6-16)12-21(23(25)28)26-22(19)14-27/h2-8,11-12H,9-10,13-14H2,1H3,(H2,25,28)
InChIKeyZAQGGMNDKPUWQY-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.28
Rot. Bonds5

About 4-(4-fluorophenyl)-7-[(3-methylsulfinylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

4-(4-fluorophenyl)-7-[(3-methylsulfinylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 154985629) has the molecular formula C23H22FN3O2S and a molecular weight of 423.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-7-[(3-methylsulfinylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-7-[(3-methylsulfinylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID154985629
Molecular FormulaC23H22FN3O2S
Molecular Weight423.51 g/mol
Exact Mass423.14
IUPAC Name4-(4-fluorophenyl)-7-[(3-methylsulfinylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCS(=O)c1cccc(CN2CCc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3C2)c1
InChIInChI=1S/C23H22FN3O2S/c1-30(29)18-4-2-3-15(11-18)13-27-10-9-19-20(16-5-7-17(24)8-6-16)12-21(23(25)28)26-22(19)14-27/h2-8,11-12H,9-10,13-14H2,1H3,(H2,25,28)
InChIKeyZAQGGMNDKPUWQY-UHFFFAOYSA-N
XLogP3.28
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911297
4-(4-fluorophenyl)-7-[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911190
4-(2,4-difluorophenyl)-7-[(3-fluoro-5,5-dimethyloxolan-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118902417
4-(4-chloro-2-fluorophenyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911031
4-(2,4-dimethylphenyl)-7-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911208
7-[(3-tert-butyltriazol-4-yl)methyl]-4-(4-chloro-2,6-difluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118913157
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 139636097
4-(4-chloro-2-fluorophenyl)-7-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118902472
4-(4-fluorophenyl)-7-[(1-oxo-1,2-thiazolidin-2-yl)methyl]quinoline-2-carboxamide
CID 130412132
1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone
CID 31016341
7-(4-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyridine-5-carboxamide
CID 155553540
7-[(3-bromophenyl)methyl]-2-(4-methylphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865290

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-7-[(3-methylsulfinylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-7-[(3-methylsulfinylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 154985629) is 4-(4-fluorophenyl)-7-[(3-methylsulfinylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-7-[(3-methylsulfinylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-7-[(3-methylsulfinylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is CS(=O)c1cccc(CN2CCc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3C2)c1.
What is the InChIKey of 4-(4-fluorophenyl)-7-[(3-methylsulfinylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is ZAQGGMNDKPUWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2S/c1-30(29)18-4-2-3-15(11-18)13-27-10-9-19-20(16-5-7-17(24)8-6-16)12-21(23(25)28)26-22(19)14-27/h2-8,11-12H,9-10,13-14H2,1H3,(H2,25,28).
What are the key properties of 4-(4-fluorophenyl)-7-[(3-methylsulfinylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
4-(4-fluorophenyl)-7-[(3-methylsulfinylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-7-[(3-methylsulfinylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 154985629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).